Geometry & MOs

Info

ID:	71185
PubChem CID:	48414421
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	17.24
Dipole, Da:	6.29
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations